2-Chloro-4,5-difluorobenzenesulfonyl chloride

C₆H₂Cl₂F₂O₂SCAS 67475-58-5247.04 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂Cl₂F₂O₂S
Molar mass: 247.04 g/mol
Exact mass: 245.9121 Da
logP: 2.55Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

67475-58-5

SMILES

C1=C(C(=CC(=C1S(=O)(=O)Cl)Cl)F)F

InChIKey

NITODZKOCXPBBS-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl2F2O2S/c7-3-1-4(9)5(10)2-6(3)13(8,11)12/h1-2H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Chloro-4,5-difluorobenzenesulfonyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,5-Trifluorobenzenesulfonyl chloride220227-21-468 % similar 2,4,5-Trichlorobenzenesulfonyl chloride15945-07-064 % similar 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid56447-54-262 % similar 2-Chloro-4-fluorobenzenesulfonyl chloride85958-57-258 % similar 2,4-Dichloro-5-methylbenzenesulfonyl chloride28286-86-456 % similar 4-Amino-6-chlorobenzene-1,3-di(sulphonyl chloride)671-89-656 % similar 3-Chloro-2-fluorobenzenesulfonyl chloride351003-48-055 % similar 4-Chloro-2-fluorobenzene-1-sulfonyl chloride141337-26-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-2,4-difluorobenzenesulfonyl chloride13656-57-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook